Mol:FLIDHXNI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.0044 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 -2.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 8 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FLIDHXNI0004 KNApSAcK_ID C00009689 NAME Glyceollidin I;3,6a,9-Trihydroxy-4-prenylpterocarpan CAS_RN 77979-21-6 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES C(c(c4O)c(c(cc4)1)OCC(O)(c32)C1Oc2cc(O)cc3)C=C(C)C M END
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